CAS Number4394-00-7
SynonymsEINECS 224-516-2; MFCD00010569; 2-(3-Trifluoromethyl-phenylamino)-; nicotinic acid; Niflumic acid; 2-(a,a,a-Trifluoro-m-toluidino)nicotinic Acid; 2-{[3-(Trifluoromethyl)phenyl]amino}nicotinic acid; 2-[[3-(Trifluoromethyl)phenyl]amino]-3-pyridinecarboxylic Acid; 2-(3-TrifluoroMethylanilino)nicotinic Acid; 2-((3-(Trifluoromethyl)phenyl)amino)nicotinic acid; 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid; 2-[(3-Trifluoromethylphenyl)amino]nicotinic Acid
Molecular FormulaC13H9F3N2O2
Molecular Weight282.22
Purity≥98 (HPLC)%
Density1.4±0.1 g/cm3
Boiling Point378.0±42.0 °C at 760 mmHg
Melting Point203-204 °C
Appearancepowder
EINECS224-516-2
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 4394-00-7 |
| Catalog No. | 2A-9011656 |
| Chinese Name | 氟尼酸 |
| Synonyms | EINECS 224-516-2; MFCD00010569; 2-(3-Trifluoromethyl-phenylamino)-; nicotinic acid; Niflumic acid; 2-(a,a,a-Trifluoro-m-toluidino)nicotinic Acid; 2-{[3-(Trifluoromethyl)phenyl]amino}nicotinic acid; 2-[[3-(Trifluoromethyl)phenyl]amino]-3-pyridinecarboxylic Acid; 2-(3-TrifluoroMethylanilino)nicotinic Acid; 2-((3-(Trifluoromethyl)phenyl)amino)nicotinic acid; 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid; 2-[(3-Trifluoromethylphenyl)amino]nicotinic Acid |
| Molecular Formula | C13H9F3N2O2 |
| Molecular Weight | 282.22 |
| Purity | ≥98 (HPLC) |
| Density | 1.4±0.1 g/cm3 |
| Boiling Point | 378.0±42.0 °C at 760 mmHg |
| Melting Point | 203-204 °C |
| Appearance | powder |
| Water Solubility | Soluble in ethanol (~50 mg/ml), acetone (50 mg/ml, |
| Storage Condition | Keep away from light, ventilated and dry, sealed |
| Packaging | Ⅲ |
| Application | Niflumic acid is a calcium-activated chloride channel blocker that can act on rheumatoid arthritis. |
| EINECS | 224-516-2 |
| HTC | 2933399090 |
| PubChem ID | 24278582 |
| MDL Number | MFCD00010569 |
| SMILES | O=C(O)C1=CC=CN=C1NC2=CC(C(F)(F)F)=CC=C2 |
| InChI | 1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20) |
| InChI Key | JZFPYUNJRRFVQU-UHFFFAOYSA-N |
| NACRES Code | NA.77 |
| UNSPSC | 12352106 |
| Hazard Symbols | Transport |
| MSDS | msds/11656_1_4394_00_7.pdf |
| Bioactivity | Niflumic acid, a Ca2+-activated Cl- channel blocker, is an analgesic and anti-inflammatory agent used in the treatment of rheumatoid arthritis.Target: Othersniflumic acid, an inhibitor of calcium-activated chloride currents. Niflumic acid does not block directly calcium channels or activate potassium channels. Niflumic acid selectively reduces a component of noradrenaline- and 5-HT-induced pressor responses by inhibiting a mechanism which leads to the opening of voltage-gated calcium channels [1]. Niflumic acid molecule is completely buried in the substrate-binding hydrophobic channel. The conformations of the binding site in PLA(2) as well as that of niflumic acid are not altered upon binding [2]. Niflumic acid (NFA) produces biphasic behavior on human CLC-K channels that suggests the presence of two functionally different binding sites: an activating site and a blocking site [3]. Related Catalog Signaling Pathways >> Membrane Transporter/Ion Channel >> Chloride Channel Research Areas >> Inflammation/Immunology References [1]. Criddle, D.N., et al., Inhibitory action of niflumic acid on noradrenaline- and 5-hydroxytryptamine-induced pressor responses in the isolated mesenteric vascular bed of the rat. Br J Pharmacol, 1997. 120(5): p. 813-8. [2]. Jabeen, T., et al., Non-steroidal anti-inflammatory drugs as potent inhibitors of phospholipase A2: structure of the complex of phospholipase A2 with niflumic acid at 2.5 Angstroms resolution. Acta Crystallogr D Biol Crystallogr, 2005. 61(Pt 12): p. 1579- [3]. Picollo, A., et al., Mechanism of interaction of niflumic acid with heterologously expressed kidney CLC-K chloride channels. J Membr Biol, 2007. 216(2-3): p. 73-82. Chemical & Physical Properties Density 1.4±0.1 g/cm3 Boiling Point 378.0±42.0 °C at 760 mmHg Melting Point 203-204ºC Molecular Formula C13H9F3N2O2 Molecular Weight 282.218 Flash Point 182.4±27.9 °C Exact Mass 282.061615 PSA 62.22000 LogP 4.94 Vapour Pressure 0.0±0.9 mmHg at 25°C Index of Refraction 1.589 InChIKey JZFPYUNJRRFVQU-UHFFFAOYSA-N SMILES O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1 Storage condition Store at RT Water Solubility Soluble in ethanol (~50 mg/ml), acetone (50 mg/ml, Clear to Slightly Hazy, Yellow), methanol (~50 mg/ml), DMSO (56 mg/ml at 25°C), and acetonitrile (~50 mg/ml). |
| Use of | Niflumic acid, a Ca2+-activated Cl- channel blocker, is an analgesic and anti-inflammatory agent used in the treatment of rheumatoid arthritis.Target: Othersniflumic acid, an inhibitor of calcium-activated chloride currents. Niflumic acid does not block directly calcium channels or activate potassium channels. Niflumic acid selectively reduces a component of noradrenaline- and 5-HT-induced pressor responses by inhibiting a mechanism which leads to the opening of voltage-gated calcium channels [1]. Niflumic acid molecule is completely buried in the substrate-binding hydrophobic channel. The conformations of the binding site in PLA(2) as well as that of niflumic acid are not altered upon binding [2]. Niflumic acid (NFA) produces biphasic behavior on human CLC-K channels that suggests the presence of two functionally different binding sites: an activating site and a blocking site [3]. Properties Articles66 Name Niflumic acid Synonym More Synonyms Niflumic acid Biological Activity Description Niflumic acid, a Ca2+-activated Cl- channel blocker, is an analgesic and anti-inflammatory agent used in the treatment of rheumatoid arthritis.Target: Othersniflumic acid, an inhibitor of calcium-activated chloride currents. Niflumic acid does not block directly calcium channels or activate potassium channels. Niflumic acid selectively reduces a component of noradrenaline- and 5-HT-induced pressor responses by inhibiting a mechanism which leads to the opening of voltage-gated calcium channels [1]. Niflumic acid molecule is completely buried in the substrate-binding hydrophobic channel. The conformations of the binding site in PLA(2) as well as that of niflumic acid are not altered upon binding [2]. Niflumic acid (NFA) produces biphasic behavior on human CLC-K channels that suggests the presence of two functionally different binding sites: an activating site and a blocking site [3]. Related Catalog Signaling Pathways >> Membrane Transporter/Ion Channel >> Chloride Channel Research Areas >> Inflammation/Immunology References [1]. Criddle, D.N., et al., Inhibitory action of niflumic acid on noradrenaline- and 5-hydroxytryptamine-induced pressor responses in the isolated mesenteric vascular bed of the rat. Br J Pharmacol, 1997. 120(5): p. 813-8. [3]. Picollo, A., et al., Mechanism of interaction of niflumic acid with heterologously expressed kidney CLC-K chloride channels. J Membr Biol, 2007. 216(2-3): p. 73-82. Chemical & Physical Properties Molecular Formula C13H9F3N2O2 Exact Mass 282.061615 PSA 62.22000 Index of Refraction 1.589 InChIKey JZFPYUNJRRFVQU-UHFFFAOYSA-N Storage condition Store at RT |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Dangerous Regulations for land transport: 2811 International Dangerous Regulations for sea transport: 2811 International Dangerous Regulations for air transport: 2811 14.2 United Nations shipping name European Land Transport Dangerous Regulations: TOXIC SOLID, ORGANIC, N.O.S. (Niflumic acid) IMDG Code: TOXIC SOLID, ORGANIC, N.O.S. (Niflumic acid) International air transport hazard regulations: Toxic solid, organic, n.o.s. (Niflumic acid) 14.3 Transport hazard categories European Land Transport Danger Regulations: 6.1 International Maritime Transport Danger Regulations: 6.1 International Air Transport Danger Regulations: 6.1 14.4 Package group European Land Transport Danger Regulations: III International Maritime Transport Danger Regulations: III International Air Transport Danger Regulations: III 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available |
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